SCHEMBL11470937

SCHEMBL11470937

OCCCCCC1CCCCCCCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.60
CYP1A2 P05177 1/20 0.52
KDM5A P29375 3/20 0.43
PHF8 Q9UPP1 3/20 0.43
KDM2A Q9Y2K7 3/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM4A O75164 1/20 0.43
EPHX1 P07099 2/20 0.42
NAAA Q02083 2/20 0.40
GPR84 Q9NQS5 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4281112 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL5542454 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL1006265 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL1007122 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL1006966 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL25310908 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL1006136 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL1007371 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL330182 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL6817084 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4220795-A MODIFIERS OF SMOOTH MUSCLE ACTIVITY, PLATELET ANTIAGGREGATING AGENTS, GASTRIC ANTISCRETORY AGENTS, BRONCHODILATORS MILES LABORATORIES, INC. (US) 1980-09-02 US disclosed